4-methyl-3-phenyl-1,4-dihydrochromeno[3,4-d]pyrazole

C17H14N2O — CID 132606537

IUPAC4-methyl-3-phenyl-1,4-dihydrochromeno[3,4-d]pyrazole
SMILESCC1Oc2ccccc2-c2[nH]nc(-c3ccccc3)c21
InChIInChI=1S/C17H14N2O/c1-11-15-16(12-7-3-2-4-8-12)18-19-17(15)13-9-5-6-10-14(13)20-11/h2-11H,1H3,(H,18,19)
InChIKeyNEIKZHCMURIBBV-UHFFFAOYSA-N
MW262.31 g/mol
LogP4.20
Rot. Bonds1

About 4-methyl-3-phenyl-1,4-dihydrochromeno[3,4-d]pyrazole

4-methyl-3-phenyl-1,4-dihydrochromeno[3,4-d]pyrazole (PubChem CID 132606537) has the molecular formula C17H14N2O and a molecular weight of 262.31 g/mol. Its IUPAC name is 4-methyl-3-phenyl-1,4-dihydrochromeno[3,4-d]pyrazole.

Molecular Properties

Compound Name4-methyl-3-phenyl-1,4-dihydrochromeno[3,4-d]pyrazole
PubChem CID132606537
Molecular FormulaC17H14N2O
Molecular Weight262.31 g/mol
Exact Mass262.11
IUPAC Name4-methyl-3-phenyl-1,4-dihydrochromeno[3,4-d]pyrazole
SMILESCC1Oc2ccccc2-c2[nH]nc(-c3ccccc3)c21
InChIInChI=1S/C17H14N2O/c1-11-15-16(12-7-3-2-4-8-12)18-19-17(15)13-9-5-6-10-14(13)20-11/h2-11H,1H3,(H,18,19)
InChIKeyNEIKZHCMURIBBV-UHFFFAOYSA-N
XLogP4.20
TPSA37.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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5-(oxan-4-yl)-3-(4-phenoxyphenyl)-1H-pyrazole
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(1)Benzopyrano(4,3-c)pyrazole, 2,4-dihydro-3-phenyl-
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Frequently Asked Questions

What is the IUPAC name of 4-methyl-3-phenyl-1,4-dihydrochromeno[3,4-d]pyrazole?
The IUPAC name of 4-methyl-3-phenyl-1,4-dihydrochromeno[3,4-d]pyrazole (CID 132606537) is 4-methyl-3-phenyl-1,4-dihydrochromeno[3,4-d]pyrazole.
What is the SMILES notation for 4-methyl-3-phenyl-1,4-dihydrochromeno[3,4-d]pyrazole?
The canonical SMILES for 4-methyl-3-phenyl-1,4-dihydrochromeno[3,4-d]pyrazole is CC1Oc2ccccc2-c2[nH]nc(-c3ccccc3)c21.
What is the InChIKey of 4-methyl-3-phenyl-1,4-dihydrochromeno[3,4-d]pyrazole?
The InChIKey is NEIKZHCMURIBBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N2O/c1-11-15-16(12-7-3-2-4-8-12)18-19-17(15)13-9-5-6-10-14(13)20-11/h2-11H,1H3,(H,18,19).
What are the key properties of 4-methyl-3-phenyl-1,4-dihydrochromeno[3,4-d]pyrazole?
4-methyl-3-phenyl-1,4-dihydrochromeno[3,4-d]pyrazole has a molecular weight of 262.31 g/mol, XLogP of 4.20, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-3-phenyl-1,4-dihydrochromeno[3,4-d]pyrazole is sourced from PubChem (CID 132606537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).